SCHEMBL7340295

SCHEMBL7340295

Cc1ccccc1C(=S)Cl.Cc1ccccc1C(O)=S

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.40
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
POLB P06746 2/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
ALOX12 P18054 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MYC P01106 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7346004 0.91 TSHR (0.43) HPGDALDH1A1SMN1; SMN2ERCC5FEN1
SCHEMBL31135508 0.89 HPGD (0.47) HPGDALDH1A1SMN1; SMN2ERCC5FEN1
SCHEMBL1029641 0.89 HPGD (0.47) HPGDALDH1A1SMN1; SMN2ERCC5FEN1
Fluoride SCHEMBL27823341 0.87 HPGD (0.45) HPGDALDH1A1SMN1; SMN2ERCC5FEN1
Hydrochloric Acid SCHEMBL10333053 0.87 MAOA (0.47) HPGDALDH1A1SMN1; SMN2ERCC5FEN1
Chlorobenzene SCHEMBL28513506 0.86 TSHR (0.44) HPGDALDH1A1SMN1; SMN2ERCC5FEN1
Naphthalene SCHEMBL27869471 0.83 HPGD (0.42) HPGDALDH1A1SMN1; SMN2ERCC5FEN1
SCHEMBL7340289 0.79 NPC1 (0.42) HPGDALDH1A1SMN1; SMN2ERCC5FEN1
Pyrimidine SCHEMBL27685646 0.76 TYK2 (0.41) HPGDALDH1A1SMN1; SMN2ERCC5FEN1
Trifluoromethylbenzene SCHEMBL27850540 0.75 ALDH1A1 (0.52) HPGDALDH1A1SMN1; SMN2RAB9AALOX12

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996007648-A1 2-SUBSTITUTED-4H-3,1-BENZOXAZIN-4-ONES AND BENZTHIAZIN-4-ONES AS INHIBITORS OF COMPLEMENT Clr PROTEASE FOR THE TREATMENT OF INFLAMMATORY PROCESSES WARNER-LAMBERT COMPANY (US) 1996-03-14 WO disclosed